Account (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
- Catalog No. :
- ACDTJN906
- CAS No. :
- 83805-11-2
- Molecular Formula :
- C27H38F6O3
- Molecular Weight :
- 524.59
IUPAC Name:(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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Product Information
| Product Name | (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
|---|---|
| IUPAC Name | (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
| Molecular Formula | C27H38F6O3 |
| Molecular Weight | 524.59 |
| SMILES | C[C@]([C@]/12[H])([C@H](CC2)[C@@H](CCCC(C(F)(F)F)(C(F)(F)F)O)C)CCCC1=C/C=C(C[C@@H](O)C[C@@H]3O)\C3=C |
| InChI Key | XPYGGHVSFMUHLH-UUSULHAXSA-N |
| Synonym | Hornel | Falecalcitol | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| CAS No. | 83805-11-2 |
| PubChem CID | 5282190 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H300
- Precautionary Statement(s)
- P264-P270-P301+P310+P330-P405-P501
Synthetic Route by SureRoute
2. ACDTJN906 Molecular Building Block Synthetic Route
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-7-Hydroxy-7-methyloctan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,E)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol